SCHEMBL763893

SCHEMBL763893

O[C@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TACR1 P25103 1/20 0.44
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38
EPHX2 P34913 1/20 0.38
PDE4D Q08499 1/20 0.38
MAN2A1 Q16706 1/20 0.36
MAN1B1 Q9UKM7 1/20 0.36
IDO1 P14902 1/20 0.36
RORC P51449 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1857390 1.00 TSHR (0.48) TSHRTACR1CA1CA2CA7
SCHEMBL1857389 1.00 TSHR (0.48) TSHRTACR1CA1CA2CA7
SCHEMBL1863524 0.82 TSHR (0.48) TSHRTACR1KDM4EPOLBIDO1
SCHEMBL763932 0.82 TSHR (0.48) TSHRTACR1KDM4EPOLBIDO1
SCHEMBL1863521 0.82 TSHR (0.48) TSHRTACR1KDM4EPOLBIDO1
SCHEMBL26124613 0.77 TSHR (0.47) TSHRTACR1CA1CA2CA7
SCHEMBL3488328 0.76 TSHR (0.50) TSHRTACR1CA1CA2CA7
SCHEMBL9565489 0.76 TSHR (0.45) TSHRTACR1CA1CA2CA7
SCHEMBL9565491 0.76 TSHR (0.45) TSHRTACR1CA1CA2CA7
SCHEMBL17100019 0.74 TSHR (0.52) TSHRTACR1IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 TSHR 1606/4885TACR1 1940/4885CA1 2993/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 TSHR 1606/4885TACR1 1940/4885CA1 2993/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 TSHR 1769/4885TACR1 1623/4885CA1 3944/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.